Stronger than steel and lighter than aluminum, carbon fiber is a staple in aerospace and high-performance vehicles — and now, scientists at the Department of Energy’s Oak Ridge National Laboratory have found a way to make it stronger.
5 Million Simulations: Frontier Exascale Supercomputer for Carbon-Fiber Material Science
June 20, 2025 by
Vanguards of HPC-AI: Sandia’s Dr. Sharlotte Kramer — Pushing Forward in Materials Modeling
April 30, 2025 by
Dr. Sharlotte Kramer is a Distinguished Member of the Technical Staff at Sandia National Laboratories and researcher in Sandia’s Structural Mechanics Laboratory. She first ….
Data Center Cooling: PFCC and ENEOS Collaborate on Materials R&D with NVIDIA ALCHEMI Software
April 3, 2025 by
March 31, 2025 — Preferred Computational Chemistry Inc. (PFCC) announces that it will team up with ENEOS Corp. to enable AI-driven formulation optimization of chemicals and materials using NVIDIA ALCHEMI software. The collaboration was announced at NVIDIA GTC. The collaboration focuses on R&D for industrial performance and sustainability with a focus on such areas as […]
Exascale: Frontier Simulations Could Lead to a ‘Superdiamond’
August 1, 2024 by
The world’s fastest supercomputer helped researchers simulate synthesizing a material harder and tougher than a diamond — or any other substance on Earth. The study used Frontier, the HPE Cray EX supercomputing system at the Department of Energy’s Oak ….
Exascale: ECP’s QMCPACK Project for Predicting and Controlling Materials
August 1, 2022 by
In this episode of the Let’s Talk Exascale podcast, produced by DOE’s Exascale Computing Project, the topic is an ECP subproject called QMCPACK, which aims to find, predict, and control materials from first principles with predictive accuracy. This episode offers a conversation with QMCPACK’s principle investigator, Paul Kent, a distinguished R&D staff member at Oak Ridge National Laboratory. The discussion
DOE: $150M for Chemical and Materials Science to Cut Climate Impacts of Energy Technologies and Manufacturing
February 22, 2022 by
Feb. 22, 2022 — The U.S. Department of Energy (DOE) today announced $150 million in open funding for research projects focused on increasing efficiency and curbing carbon emissions from energy technologies and manufacturing. This funding will support research underpinning DOE’s Energy Earthshots Initiatives, which set goals for significant improvements in clean energy technology within a […]
DOE Funds Argonne for better materials and chemistry through data science
September 10, 2019 by
Argonne is one of five national laboratories and fourteen universities awarded three-year grants under a DOE Funding Opportunity titled “Data Science for Discovery in Chemical and Materials Sciences.” Argonne was awarded funding for two research projects. Total funding will be nearly $4.75 million over three years.
Podcast: ECP Team Achieves Huge Performance Gain on Materials Simulation Code
September 5, 2019 by
The Exascale Atomistics for Accuracy, Length, and Time (EXAALT) project within the US Department of Energy’s Exascale Computing Project (ECP) has made a big step forward by delivering a five-fold performance advance in addressing its fusion energy materials simulations challenge problem. “Summit is at roughly 200 petaflops, so by the time we go to the exascale, we should have another factor of five. That starts to be a transformative kind of change in our ability to do the science on these machines.”
DOE Funds $37 Million for Materials and Chemistry Research in Quantum Information Science
July 25, 2019 by
Today the U.S. Department of Energy (DOE) announced $37 million in funding for targeted research in materials and chemistry to advance the important emerging field of Quantum Information Science (QIS). “America was a pioneer in the establishment of the Information Age,” said Under Secretary for Science Paul Dabbar. “It’s critical that we remain in the forefront of information science and technology, and this new research will help ensure continued U.S. leadership in the information economy in the years ahead.”
Podcast: Supercomputing the Emergence of Material Behavior
May 18, 2018 by
In this TACC Podcast, Chemists at the University of California, San Diego describe how they used supercomputing to design a sheet of proteins that toggle between different states of porosity and density. This is a first in biomolecular design that combined experimental studies with computation done on supercomputers. “To meet these and other computational challenges, Paesani has been awarded supercomputer allocations through XSEDE, the Extreme Science and Engineering Discovery Environment, funded by the National Science Foundation.”
